N',N'-dimethyl-N-(4-methylsulfonyl-2-nitro-phenyl)propane-1,3-diamine

Systemtic Name: N',N'-dimethyl-N-(4-methylsulfonyl-2-nitro-phenyl)propane-1,3-diamine Openeye Name: N',N'-dimethyl-N-(4-methylsulfonyl-2-nitro-phenyl)propane-1,3-diamine CAS Name: N',N'-dimethyl-N-(4-methylsulfonyl-2-nitrophenyl)propane-1,3-diamine IUPAC Name: N',N'-dimethyl-N-(4-methylsulfonyl-2-nitrophenyl)propane-1,3-diamine Traditional Name: 3-(4-mesyl-2-nitro-anilino)propyl-dimethyl-amine Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H19N3O4S/c1-14(2)8-4-7-13-11-6-5-10(20(3,18)19)9-12(11)15(16)17/h5-6,9,13H,4,7-8H2,1-3H3